4-Chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid - CAS 1246088-38-9
Catalog: |
BB005930 |
Product Name: |
4-Chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid |
CAS: |
1246088-38-9 |
Synonyms: |
4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid |
IUPAC Name: | 4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid |
Description: | 4-Chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (CAS# 1246088-38-9) is a useful research chemical. |
Molecular Weight: | 214.58 |
Molecular Formula: | C8H4ClFN2O2 |
Canonical SMILES: | C1=CNC2=NC(=C(C(=C21)Cl)F)C(=O)O |
InChI: | InChI=1S/C8H4ClFN2O2/c9-4-3-1-2-11-7(3)12-6(5(4)10)8(13)14/h1-2H,(H,11,12)(H,13,14) |
InChI Key: | YVKQWOUKLUGWFX-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD17171310 |
LogP: | 2.05360 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.9945332 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.9945332 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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